2-(7H-purin-6-ylsulfanyl)ethanenitrile

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)ethanenitrile Openeye Name: 2-(7H-purin-6-ylsulfanyl)acetonitrile CAS Name: 2-(7H-purin-6-ylthio)acetonitrile IUPAC Name: 2-(7H-purin-6-ylsulfanyl)acetonitrile Traditional Name: 2-(7H-purin-6-ylthio)acetonitrile Formula: C7H5N5S MolecularWeight: 191.2131

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCC#N

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCC#N

InChI

InChI=1S/C7H5N5S/c8-1-2-13-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,(H,9,10,11,12)